1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid
• CAS No.: 925199-97-9
• Molecular Formula: C5H4F2N2O2
• Molecular Weight: 162.09
• Hs Code.: 2933199090
• European Community (EC) Number: 675-267-5
• DSSTox Substance ID: DTXSID30390042
• Wikidata: Q82186425
• Mol file: 925199-97-9.mol

Synonyms:1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid;925199-97-9;2-(difluoromethyl)pyrazole-3-carboxylic acid;2-Difluoromethyl-2H-pyrazole-3-carboxylic acid;MFCD03420213;2-difluoromethyl-2 h-pyrazole-3-carboxylic acid;SCHEMBL2214779;DTXSID30390042;HMS1698M02;BBL016043;STK312961;AKOS000302346;SB85646;AS-43665;SY079418;CS-0262742;FT-0677657;EN300-83620;1-(difluoromethyl)-1H-pyrazole-5-carboxylicacid;Z1198162468;1-(Difluoromethyl)-1H-pyrazole-5-carboxylic acid, AldrichCPR

Chemical Property of 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00274mmHg at 25°C
• Boiling Point: 273.7°C at 760 mmHg
• PKA: 2.84±0.36(Predicted)
• Flash Point: 119.4°C
• PSA: 55.12000
• Density: 1.61g/cm³
• LogP: 0.97640
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 162.02408370
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

1-(difluoromethyl)-1H-pyrazole-5-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N(N=C1)C(F)F)C(=O)O